The Stone

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The Wolfram|Alpha Chemistry Team
A quick reference for translating chemistry into the Wolfram Language.

Chemical Objects

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Object
Wolfram Language
3D structure
MoleculePlot3D
Atoms
Atom
Bonds
Bond
Chemical formulas
ChemicalFormula
Chemical reactions
ChemicalReaction
DNA
BioSequence
Functional groups
MoleculePattern
Line formulas
MoleculePlot
Molecules
Molecule
Peptides
BioSequence
RNA
BioSequence
Sterochemical formulas
MoleculePlot

Chemical Entities

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Entity
Wolfram Language
Chemicals
Entity[Chemical,]
Elements
Entity[Element,]
Genes
Entity[Gene,]
Isotopes
Entity[Isotope,]
Minerals
Entity[Mineral,]
Proteins
Entity[Protein,]

Chemical Actions

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Action
Wolfram Language
Aligning molecules in 3D
MoleculeAlign
Balancing reactions
ReactionBalance
Chemical conversions
ChemicalConvert
Chemical synthesis
PatternReaction
Drawing molecules
MoleculeDraw
Generating isomers
FindIsomers
Geometry optimization
MoleculeModify
Naming molecules
MoleculeName

Chemical Properties

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Property
Wolfram Language
Atomic mass
["AtomicMass"]
Element counts
["ElementCounts"]
Element mass fraction
["ElementMassFraction"]
Empirical formula
ChemicalFormula[][EmpiricalFormula]
Charge number
["NetCharge"]
Chemical formula
["Formula"]
Formula string
["FormulaString"]
Hill formula
["HillFormula"]
Hill formula string
["HillFormulaString"]
Molar mass
["MolarMass"]
Molecular mass
["MolecularMass"]
Phase
["Phase"]
Point group
Molecule[][PointGroup]
Relative molecular mass
["RelativeMolecularMass"]
Total number of atoms
AtomCount[]
Total number of bonds
BondCount[]
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